Geometry & MOs

Info

ID:	127880
PubChem CID:	51020962
Reduced:	SO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	268.094688
ΔH_f, kcal/mol:	-5.95
Dipole, Da:	5.16
IP(EA), eV:	-9.4(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3Z,5R,7E)-3,7-bis[hydroxy(methoxy)methylidene]bicyclo[3.3.1]nonane-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)SCC(=O)N[C@H]3C[C@@H]4CC[C@H]3C4

DOS

IR

Vibrations